Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCC(O)C3)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1- InChIKey
LLJSZBVBLBXLBH-UHFFFAOYSA-N- Molecular formula
- C33H38ClN5O6
- Average molar mass
- 636.1 g/mol
Names & identifiers
- Preferred name
- 2-[2-(1-tert-Butoxycarbonylpiperidin-4-yloxy)-4-(3-hydroxy-pyrrolidin-1-yl)benzoylamino]-N-(5-chloropyridin-2-yl)benzamide
- IUPAC
- tert-butyl 4-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]-5-(3-hydroxypyrrolidin-1-yl)phenoxy]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3160445LLJSZBVBLBXLBH-UHFFFAOYSA-N2-[2-(1-tert-Butoxycarbonylpiperidin-4-yloxy)-4-(3-hydroxy-pyrrolidin-1-yl)benzoylamino]-N-(5-chloropyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 68533976
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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